5-[(7R)-7-(2-cyclopentylethylamino)-1-fluoro-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one

C19H26FN3O4S — CID 155103241

IUPAC5-[(7R)-7-(2-cyclopentylethylamino)-1-fluoro-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
SMILESO=C1CN(c2c(O)cc3c(c2F)C[C@H](NCCC2CCCC2)CC3)S(=O)(=O)N1
InChIInChI=1S/C19H26FN3O4S/c20-18-15-10-14(21-8-7-12-3-1-2-4-12)6-5-13(15)9-16(24)19(18)23-11-17(25)22-28(23,26)27/h9,12,14,21,24H,1-8,10-11H2,(H,22,25)/t14-/m1/s1
InChIKeyXUZOOEPQVHBOAK-CQSZACIVSA-N
MW411.50 g/mol
LogP1.74
Rot. Bonds5

About 5-[(7R)-7-(2-cyclopentylethylamino)-1-fluoro-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one

5-[(7R)-7-(2-cyclopentylethylamino)-1-fluoro-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one (PubChem CID 155103241) has the molecular formula C19H26FN3O4S and a molecular weight of 411.50 g/mol. Its IUPAC name is 5-[(7R)-7-(2-cyclopentylethylamino)-1-fluoro-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one.

Molecular Properties

Compound Name5-[(7R)-7-(2-cyclopentylethylamino)-1-fluoro-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
PubChem CID155103241
Molecular FormulaC19H26FN3O4S
Molecular Weight411.50 g/mol
Exact Mass411.16
IUPAC Name5-[(7R)-7-(2-cyclopentylethylamino)-1-fluoro-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
SMILESO=C1CN(c2c(O)cc3c(c2F)C[C@H](NCCC2CCCC2)CC3)S(=O)(=O)N1
InChIInChI=1S/C19H26FN3O4S/c20-18-15-10-14(21-8-7-12-3-1-2-4-12)6-5-13(15)9-16(24)19(18)23-11-17(25)22-28(23,26)27/h9,12,14,21,24H,1-8,10-11H2,(H,22,25)/t14-/m1/s1
InChIKeyXUZOOEPQVHBOAK-CQSZACIVSA-N
XLogP1.74
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[(7R)-7-(2-cyclopentylethylamino)-1-fluoro-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(7R)-7-(2-cyclopentylethylamino)-1-fluoro-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The IUPAC name of 5-[(7R)-7-(2-cyclopentylethylamino)-1-fluoro-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one (CID 155103241) is 5-[(7R)-7-(2-cyclopentylethylamino)-1-fluoro-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one.
What is the SMILES notation for 5-[(7R)-7-(2-cyclopentylethylamino)-1-fluoro-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The canonical SMILES for 5-[(7R)-7-(2-cyclopentylethylamino)-1-fluoro-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one is O=C1CN(c2c(O)cc3c(c2F)C[C@H](NCCC2CCCC2)CC3)S(=O)(=O)N1.
What is the InChIKey of 5-[(7R)-7-(2-cyclopentylethylamino)-1-fluoro-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The InChIKey is XUZOOEPQVHBOAK-CQSZACIVSA-N. The full InChI is InChI=1S/C19H26FN3O4S/c20-18-15-10-14(21-8-7-12-3-1-2-4-12)6-5-13(15)9-16(24)19(18)23-11-17(25)22-28(23,26)27/h9,12,14,21,24H,1-8,10-11H2,(H,22,25)/t14-/m1/s1.
What are the key properties of 5-[(7R)-7-(2-cyclopentylethylamino)-1-fluoro-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
5-[(7R)-7-(2-cyclopentylethylamino)-1-fluoro-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one has a molecular weight of 411.50 g/mol, XLogP of 1.74, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(7R)-7-(2-cyclopentylethylamino)-1-fluoro-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one is sourced from PubChem (CID 155103241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).